SCHEMBL137139

SCHEMBL137139

CCNCc1cc(C)ccc1-c1cccc(CC(=O)OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 2/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 3/20 0.37
RECQL P46063 1/20 0.36
KMT2A Q03164 3/20 0.36
PPARG P37231 1/20 0.36
F10 P00742 1/20 0.36
MAPT P10636 1/20 0.36
NLRP3 Q96P20 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
PTPN11 Q06124 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL137192 0.92 SLC7A5 (0.40) PPIDNPC1PKMNFKB1RAB9A
SCHEMBL134922 0.87 PTPN11 (0.43) FFAR1PTPN11
SCHEMBL139320 0.86 PTGDR2 (0.46) PPIDL3MBTL1HTT
SCHEMBL137672 0.84 MAPT (0.41) RAB9ASMN1; SMN2RECQLKMT2AMAPT
SCHEMBL16501911 0.84 CYP11B1 (0.39) PPIDNPC1PKMNFKB1RAB9A
SCHEMBL12900613 0.83 NLRP3 (0.41) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL16501894 0.81 KDM1A (0.38) NPC1PKMNFKB1RAB9ANFKB2
SCHEMBL135903 0.80 PTGDR2 (0.46) L3MBTL1RECQL
SCHEMBL137327 0.79 GAA (0.46) MAPT
SCHEMBL16501902 0.78 PDCD1LG2 (0.41) SMN1; SMN2RECQLKMT2AMAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC (US) 2013-06-20 US disclosed
US-8362044-B2 N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors PANMIRA PHARMACEUTICALS, LLC (US) 2013-01-29 US disclosed
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PANMIRA PHARMACEUTICALS, LLC. (US) 2012-03-08 US disclosed
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130158036-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PPID 791/4885NPC1 1785/4885PKM 2693/4885
US-20110039852-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PPID 791/4885NPC1 1785/4885PKM 2693/4885
US-20120058123-A1 N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS PTGDR, PTGDR2, PTGER2 PPID 791/4885NPC1 1785/4885PKM 2693/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.